CID 4962646

2-chloro-n-[(4-methylphenyl)(thiophen-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C14H14ClNOS
SMILES
CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCl
InChI
InChI=1S/C14H14ClNOS/c1-10-4-6-11(7-5-10)14(16-13(17)9-15)12-3-2-8-18-12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKey
UHTADWORDHCHCG-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.04846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05574 162.8
[M+Na]+ 302.03768 174.9
[M+NH4]+ 297.08228 172.0
[M+K]+ 318.01162 167.0
[M-H]- 278.04118 167.2
[M+Na-2H]- 300.02313 170.0
[M]+ 279.04791 166.5
[M]- 279.04901 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.